methyl 4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[(4S)-thiochroman-4-yl]carbamoyl]benzoate CAS Name: 4-[[[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]benzoate Traditional Name: 4-[[(4S)-thiochroman-4-yl]carbamoyl]benzoic acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N[C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C18H17NO3S/c1-22-18(21)13-8-6-12(7-9-13)17(20)19-15-10-11-23-16-5-3-2-4-14(15)16/h2-9,15H,10-11H2,1H3,(H,19,20)/t15-/m0/s1